4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride

C9H12ClN3O — CID 131716575

IUPAC4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride
SMILESCl.NCCc1ccc(O)c2[nH]ncc12
InChIInChI=1S/C9H11N3O.ClH/c10-4-3-6-1-2-8(13)9-7(6)5-11-12-9;/h1-2,5,13H,3-4,10H2,(H,11,12);1H
InChIKeyCPCJDVSABMSMMH-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.19
Rot. Bonds2

About 4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride

4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride (PubChem CID 131716575) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride
PubChem CID131716575
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride
SMILESCl.NCCc1ccc(O)c2[nH]ncc12
InChIInChI=1S/C9H11N3O.ClH/c10-4-3-6-1-2-8(13)9-7(6)5-11-12-9;/h1-2,5,13H,3-4,10H2,(H,11,12);1H
InChIKeyCPCJDVSABMSMMH-UHFFFAOYSA-N
XLogP1.19
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride (CID 131716575) is 4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride is Cl.NCCc1ccc(O)c2[nH]ncc12.
What is the InChIKey of 4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride?
The InChIKey is CPCJDVSABMSMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.ClH/c10-4-3-6-1-2-8(13)9-7(6)5-11-12-9;/h1-2,5,13H,3-4,10H2,(H,11,12);1H.
What are the key properties of 4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride?
4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride has a molecular weight of 213.67 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride is sourced from PubChem (CID 131716575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).